| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9Y4U6GS3XJ |
| EPA CompTox | DTXSID50215405 |
Structure
| InChI Key | WSGQQLRXHFUPKV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18O5 |
| Molecular Weight | 254.12 |
| AlogP | 2.28 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 53.99 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6510-89-0 |
| NORMAN SUSDAT | |
| FDA SRS | 9Y4U6GS3XJ |
| PubChem | 81005 |
| ChemSpider | 73084.0 |
CONTENTS
